SCHEMBL6545581

SCHEMBL6545581

O=C(c1ccc(F)cc1)c1cc(C#Cc2ccccc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.49
GRM5 P41594 2/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALPG P10696 1/20 0.41
HAO1 Q9UJM8 2/20 0.40
ASIC3 Q9UHC3 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CES2 O00748 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1746493 0.84 MMP2 (0.55) GRM5MMP2MMP9MMP12FFAR1
SCHEMBL6839761 0.81 MAPK14 (0.46) HNF4AGRM5MMP2MMP9MMP12
SCHEMBL4080048 0.80 VNN1 (0.51) GRM5LMNAHPGDSMN1; SMN2USP2
SCHEMBL4301156 0.80 L3MBTL1 (0.53) MMP2MMP9MMP12LMNAHPGD
SCHEMBL8606277 0.80 ATM (0.52) LMNAHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL9766594 0.80 ATM (0.52) LMNAHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL4300998 0.79 NPC1 (0.57) MMP2MMP9MMP12FFAR1FFAR4
SCHEMBL7715052 0.78 ATM (0.46) GRM5MMP2MMP9MMP12FFAR1
SCHEMBL13284015 0.78 LMNA (0.49) MMP2MMP9MMP12FFAR1FFAR4
SCHEMBL6545360 0.78 ATM (0.46) GRM5MMP2MMP9MMP12FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000031163-A2 POLY(ARYLENE ETHER) HOMOPOLYMER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF ALLIEDSIGNAL INC. (US) 2000-06-02 WO claimed
EP-1373382-A2 NANOPOROUS LOW DIELECTRIC CONSTANT POLYMERS Honeywell International Inc. (US) 2004-01-02 EP disclosed
CN-1455789-A Low dielectric constant metals with polymeric networks HONEYWELL INT INC (US) 2003-11-12 CN disclosed
WO-2002068516-A2 NANOPOROUS LOW DIELECTRIC CONSTANT POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2002-09-06 WO disclosed
WO-2000031163-A2 POLY(ARYLENE ETHER) HOMOPOLYMER COMPOSITIONS AND METHODS OF MANUFACTURE THEREOF ALLIEDSIGNAL INC. (US) 2000-06-02 WO disclosed